hederacine B

Properties Image MNX_ID MNXM105509 reference chebi:66008 formula C16H24N2O2 global charge 0 mol weight 276.38 InChIKey BVSWLVMJRQRUFY-UDUPFKKZSA-N InChI InChI=1S/C16H24N2O2/c1-9-10-7-12-14(2)6-5-11(17)15(14,3)8-16(10,18(12)4)20-13(9)19/h11-12H,5-8,17H2,1-4H3/t11-,12+,14-,15-,16-/m1/s1 SMILES CC1=C2C[C@@H]3N(C)[C@]2(C[C@]2(C)[C@H](N)CC[C@]32C)OC1=O MNX internals InChI (mnx) InChI=1/C16H24N2O2/c1-9-10-7-12-14(2)6-5-11(17)15(14,3)8-16(10,18(12)4)20-13(9)19/h11-12H,5-8,17H2,1-4H3/t11-,12+,14-,15-,16-/m1/s1 SMILES (mnx) [CH3:1][C:9]1=[C:10]2[CH2:7][C@H:12]3[C@@:14]4([CH3:2])[CH2:6][CH2:5][C@@H:11]([NH2:17])[C@@:15]4([CH3:3])[CH2:8][C@@:16]2([N:18]3[CH3:4])[O:20][C:13]1=[O:19]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0